About Us Careers Contact Us

Inquiry List

* Name:
* Phone:
* Service & Products of Interested: [Isotope Labeled Impurities] 5-Amino-2-cyanobenzotrifluoride-[d3] (1329792-44-0)
Project Description:
* Quantity
* Email:
* Organization We recommend you to leave us your work email address so that we can serve you better. Please leave your organization information here if you don't have a work email address.
* Verification Code:

Our Highlights

Optimal Prices
Buying products on this site guarantees the best price
Flexible Batches
Flexible batch size to meet different needs of global customers
Prompt Delivery
Warehouses in multiple cities to ensure timely delivery
Quality Assurance
Strict process parameter control to ensure product quality
One-to-one Customization
One-to-one custom synthesis for special structural needs

Application Area

Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

5-Amino-2-cyanobenzotrifluoride-[d3]

Inquiry

General Information
Catalog: BLP-003003
CAS: 1329792-44-0
Molecular Formula: C8H2D3F3N2
Molecular Weight: 189.15

Chemical Structure

Description	5-Amino-2-cyanobenzotrifluoride-[d3] is the labelled analogue of 5-Amino-2-cyanobenzotrifluoride (Bicalutamide EP Impurity D), which is used for the preparation of benzene derivatives as non-steroidal androgen receptor modulators.
Synonyms	5-Amino-2-cyanobenzotrifluoride D3; 4-Amino-2-(trifluoromethyl)benzonitrile-d3; 4-Amino-α,α,α-trifluoro-o-tolunitrile-d3; 2-Trifluoromethyl-4-aminobenzonitrile-d3; 4-Cyano-3-(trifluoromethyl)aniline-d3
IUPAC Name	4-amino-2,3,5-trideuterio-6-(trifluoromethyl)benzonitrile
Related CAS	654-70-6 (unlabelled)
Canonical SMILES	C1=CC(=C(C=C1N)C(F)(F)F)C#N
InChI	InChI=1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2/i1D,2D,3D
InChI Key	PMDYLCUKSLBUHO-CBYSEHNBSA-N
Melting Point	136-140 °C
Purity	≥ 98% by HPLC; ≥ 98% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	Light Beige to Light Orange Solid
Storage	2-8 °C under inert atmosphere